Basic information
- CAS
81531-65-9- Standard SMILES
CC(=O)[O-].Cc1c2cc[n+](C)c(C)c2cc2c1[nH]c1ccccc12- InChIKey
VBCXQSFIAPPUNG-UHFFFAOYSA-N- Molecular formula
- C20H20N2O2
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.15247789
Names & identifiers
- Preferred name
- 2-Methylolivacinium acetate
- IUPAC
- 1,2,5-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate
Names & synonyms
2-Methylolivacinium acetateNSC33600381531-65-9CHEMBL3077811,2,5-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetateDTXSID60420023NSC-336003Olivacinium acetate-NB methyl RB 5446H-Pyrido[4, 1,2,5-trimethyl-, acetate
Database identifiers
- CAS
81531-65-9- PubChem CID
- 5458752
- DTXSID
DTXSID60420023- ChEMBL
CHEMBL307781
Properties
Computed structural properties
- Topological polar surface area
- 59.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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